6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione

C12H14N2O2 — CID 43586413

IUPAC6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione
SMILESCC(C)N(C)c1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C12H14N2O2/c1-7(2)14(3)8-4-5-9-10(6-8)13-12(16)11(9)15/h4-7H,1-3H3,(H,13,15,16)
InChIKeyZFXMTTLROCTKEW-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.67
Rot. Bonds2

About 6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione

6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione (PubChem CID 43586413) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione
PubChem CID43586413
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione
SMILESCC(C)N(C)c1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C12H14N2O2/c1-7(2)14(3)8-4-5-9-10(6-8)13-12(16)11(9)15/h4-7H,1-3H3,(H,13,15,16)
InChIKeyZFXMTTLROCTKEW-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione
CID 43586469
3-[(2,3-dioxo-1H-indol-6-yl)-methylamino]propanenitrile
CID 43586421
6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione
CID 61415351
6-(N-ethylanilino)-1H-indole-2,3-dione
CID 43586419
6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione
CID 61411647
6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione
CID 43586415
6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione
CID 79314091
6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione
CID 43586464
6-pyrrolidin-1-yl-1H-indole-2,3-dione
CID 39871032
6-propyl-1H-indole-2,3-dione
CID 68953474
6-[butan-2-yl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80747078
6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80746568

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione?
The IUPAC name of 6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione (CID 43586413) is 6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione.
What is the SMILES notation for 6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione?
The canonical SMILES for 6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione is CC(C)N(C)c1ccc2c(c1)NC(=O)C2=O.
What is the InChIKey of 6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione?
The InChIKey is ZFXMTTLROCTKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7(2)14(3)8-4-5-9-10(6-8)13-12(16)11(9)15/h4-7H,1-3H3,(H,13,15,16).
What are the key properties of 6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione?
6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione has a molecular weight of 218.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione is sourced from PubChem (CID 43586413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).